SCHEMBL8045320

SCHEMBL8045320

CCOC(=O)CSc1c2c(c([C](c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c1OC(C)(C)O3)OC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 3/20 0.31
TYMS P04818 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8053655 1.00 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930659 0.88 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8035909 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8048144 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8210509 0.81 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8208364 0.81 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL7521891 0.79 HPGD (0.36) ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8046714 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930648 0.74 KDM4E (0.38) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL8930709 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 EP disclosed
US-6063360-A USEFUL AS CONTRAST AGENT FOR OVERHAUSER MAGNETIC RESONACE IMAGING NYCOMED IMAGING A/S (NO) 2000-05-16 US disclosed
EP-0832054-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1998-04-01 EP disclosed
WO-1996039367-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING A/S (NO) 1996-12-12 WO disclosed
US-5530140-A Free radicals NYCOMED IMAGING AS (NO) 1996-06-25 US disclosed